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authorV3n3RiX <venerix@koprulu.sector>2024-06-30 08:00:51 +0100
committerV3n3RiX <venerix@koprulu.sector>2024-06-30 08:00:51 +0100
commitd5ee59790ee8298b8599b0aa0fa21a98b972a44d (patch)
tree2cc4393cdcfae28879cee110e5975f6e6b798f91 /sci-chemistry
parentd855918b46ba8714cf1320fe63b55fd0ed1748a6 (diff)
gentoo auto-resync : 30:06:2024 - 08:00:50
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/Manifest.gzbin9203 -> 9199 bytes
-rw-r--r--sci-chemistry/openbabel/Manifest1
-rw-r--r--sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild280
3 files changed, 0 insertions, 281 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 883ae2cbccdf..4e4ba7251c80 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest
index d8db74c07b20..f11612320ce8 100644
--- a/sci-chemistry/openbabel/Manifest
+++ b/sci-chemistry/openbabel/Manifest
@@ -4,6 +4,5 @@ DIST openbabel-3.1.1_p20210225.tar.gz 36674527 BLAKE2B bb82fc96f704249d211bd86c7
DIST openbabel.jpg 12159 BLAKE2B b701df2b8c29df607dc2bd3997a282aa9a726d56c789ff2db900d33234dc691f76b6af12a4c9ccda4f09984504b863c40c39e8bf91058939996714ede2dd37c7 SHA512 998ea526c8c92f87dd203527fdd9f4e001357e951409209f41ab68e0b730fe12d97f9079c12ca289be413854ea2abcf8bb691ae5af823a6f29d6a590e1a3e2b0
DIST openbabel.png 29060 BLAKE2B 8d217d92125cc73462437411dd4e0cc05179cb0934f5ed15a307acc6b549b8ebab250a48a05ef7657f48c6df394f37da9b659de61efb1477b79b573a5b393ad3 SHA512 bbcaaa37663b526c9038ccb9edaf05ccc3ad1a861739a737f05f363098d8402a10b36e341fcc0aca636e809c6c32db99bf987b41719a0c756bf5e31444d3eb70
EBUILD openbabel-3.1.1_p20210225-r1.ebuild 7464 BLAKE2B 3c3b12086a4b69c1ccfd92b5da672ff2ec4a1dc161832094d62b049977e0cb8d8717e5999f3138f857efb642a123a64fca804c5a109f69de939686fae9a08bd8 SHA512 0b516f2a8cb7194d2146397c3fc1ef375446d8dd6a29d862ed73e78455e41c0d9a86cdaee7de64cd2d4403dac34b0ec8fee4e68156df7562331d4577c82f411c
-EBUILD openbabel-3.1.1_p20210225.ebuild 7424 BLAKE2B 6cb8b62d7aca60079f7dddf5917b5645dedb0a93ff4292d3f8e2f5a6d464e69becf2391ddda75f915e8d73c5133529e8553147219a375950a8707b48081a96e6 SHA512 f7eb0086a3a66327a5b126acf1886bf7cad7fcdb59b4f36a3ea29886280bc0684123edc17c8ad3c98bea6c16200d3a35d7562e15871cada9c4a67b5982405299
EBUILD openbabel-9999.ebuild 7314 BLAKE2B 4bb03f325ec2876317c4f13d481b2f7738989358bd7707f27f6f650e3e41a9afe758721b4c4929a664eb09f82fbb8da0ba9dba8331f687c36758547345ce2ef0 SHA512 37b58ea4747b79b6dcfc5e5cd69af8f1d37b2a6a1c8bf414116396549094db9e89133b70a944ab3b7668eb9d815c7e4ae9fcff9a877cea85a00911e44682eb0a
MISC metadata.xml 921 BLAKE2B c0797440e50f813777c4858cc1ce893546d7785e57243318ec7d2c601c6ec2ecb7ec5ab3dbacce960c8b71196eef51ddce07802257fff0d4cba0293f940a773f SHA512 8ee8a50230f374904a9ddaaf7337caf018788ab25a1839dbf5a48b0e5c49ac4e285a1fa759900fa6d993bc220d3586a923ae21158687be971fc51a6c302f12ad
diff --git a/sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild b/sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild
deleted file mode 100644
index d6a0165b20c5..000000000000
--- a/sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild
+++ /dev/null
@@ -1,280 +0,0 @@
-# Copyright 1999-2024 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-PYTHON_COMPAT=( python3_{9..11} )
-WX_GTK_VER=3.0-gtk3
-
-inherit cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils
-
-DESCRIPTION="Interconverts file formats used in molecular modeling"
-HOMEPAGE="https://openbabel.org/"
-
-if [[ "${PV}" == *9999* ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/openbabel/${PN}.git"
-else
- if [[ "${PV}" == *_p* ]]; then # eg., openbabel-3.1.1_p20210325
- # Set to commit hash
- OPENBABEL_COMMIT=08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b
- SRC_URI="https://github.com/${PN}/${PN}/archive/${OPENBABEL_COMMIT}.tar.gz -> ${P}.tar.gz"
- S="${WORKDIR}/${PN}-${OPENBABEL_COMMIT}"
- else
- MY_P="${PN}-$(ver_rs 1- -)"
- SRC_URI="https://github.com/${PN}/${PN}/archive/${MY_P}.tar.gz -> ${P}.tar.gz"
- S="${WORKDIR}/${PN}-${MY_P}"
- fi
- KEYWORDS="amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos"
-fi
-
-SRC_URI="${SRC_URI}
- https://openbabel.org/docs/dev/_static/babel130.png -> ${PN}.png
- https://openbabel.org/OBTitle.jpg -> ${PN}.jpg"
-
-# See src/CMakeLists.txt for LIBRARY_VERSION
-SLOT="0/7.0.0"
-LICENSE="GPL-2"
-IUSE="cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets"
-
-RESTRICT="!test? ( test )"
-
-# Inaccurate dependency logic upstream
-REQUIRED_USE="
- python? ( ${PYTHON_REQUIRED_USE} )
- test? ( inchi json !minimal wxwidgets )
-"
-
-BDEPEND="
- dev-lang/perl
- doc? (
- app-text/doxygen
- dev-texlive/texlive-latex
- )
- perl? ( >=dev-lang/swig-2 )
- python? ( >=dev-lang/swig-2 )
- test? ( dev-lang/python )
-"
-
-COMMON_DEPEND="
- dev-cpp/eigen:3
- dev-libs/libxml2:2
- sys-libs/zlib:=
- inchi? ( sci-libs/inchi )
- json? ( >=dev-libs/rapidjson-1.1.0 )
- png? ( x11-libs/cairo )
- python? ( ${PYTHON_DEPS} )
- wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}[X] )
-"
-
-DEPEND="
- ${COMMON_DEPEND}
- perl? ( dev-lang/perl )
-"
-
-RDEPEND="
- ${COMMON_DEPEND}
- perl? (
- dev-lang/perl:=
- !sci-chemistry/openbabel-perl
- )
-"
-
-PATCHES=(
- "${FILESDIR}"/openbabel-3.1.1-fix-time-check-cmake.patch
-)
-
-pkg_pretend() {
- [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
-}
-
-pkg_setup() {
- [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
-}
-
-prepare_python_bindings() {
- mkdir -p scripts/${EPYTHON} || die
- # Appends to scripts/CMakeLists.txt, substituting the correct tags, for
- # each valid python implementation,
- cat "${FILESDIR}"/${PN}-python.cmake | \
- sed -e "s|@@EPYTHON@@|${EPYTHON}|" \
- -e "s|@@PYTHON_INCUDE_DIR@@|$(python_get_includedir)|" \
- -e "s|@@PYTHON_LIBS@@|$(python_get_LIBS)|" \
- -e "s|@@PYTHON_SITEDIR@@|$(python_get_sitedir)|" >> \
- scripts/CMakeLists.txt || die
-}
-
-src_prepare() {
- cmake_src_prepare
-
- if use perl; then
- perl_set_version
-
- sed -e "/\${LIB_INSTALL_DIR}\/auto/s|\${LIB_INSTALL_DIR}|${VENDOR_ARCH}|" \
- -e "/\${LIB_INSTALL_DIR}\/Chemistry/s|\${LIB_INSTALL_DIR}|${VENDOR_ARCH}|" \
- -i scripts/CMakeLists.txt || die
- fi
-
- if use python; then
- # Skip the python bindings sections as we'll append our own
- sed -e '/^if (PYTHON_BINDINGS)$/s|PYTHON_BINDINGS|false|' \
- -i {scripts,test}/CMakeLists.txt || die
- if use test; then
- # Problems with testbindings built with -O2
- local test_skip="@unittest.skip('Similar to Issue #2138')"
- sed -e "/def testTemplates/s|^| ${test_skip}\\n|" \
- -i test/testbindings.py || die
- test_skip="@unittest.skip('Similar to Issue #2246')"
- sed -e "/^def test_write_string/s|^|${test_skip}\\n|" \
- -i test/testobconv_writers.py || die
- fi
- python_foreach_impl prepare_python_bindings
- fi
-
- # Remove dependency automagic
- if ! use png; then
- sed -e '/^find_package(Cairo/d' -i CMakeLists.txt || die
- fi
- if ! use wxwidgets; then
- sed -e '/^find_package(wxWidgets/d' -i CMakeLists.txt || die
- fi
- if ! use inchi; then
- sed -e '/^else()$/s|else\(\)|elseif\(false\)|' \
- -i cmake/modules/FindInchi.cmake || die
- fi
-
- # Don't install example bins to /usr/bin
- if use examples; then
- sed -e "/RUNTIME DESTINATION/s|bin|share/doc/${PF}/examples|" \
- -i doc/examples/CMakeLists.txt || die
- fi
-
- # boost is only used if building with gcc-3.x, which isn't supported in
- # Gentoo. Still, it shouldn't look for, and include, its headers
- sed -e '/find_package(Boost/d' -i {{tools,src}/,}CMakeLists.txt || die
-}
-
-src_configure() {
- if use json; then
- # -DOPTIMIZE_NATIVE=ON also forces -march=native so use
- # cpu_flags to set defines instead
- use cpu_flags_x86_sse2 && append-cppflags -DRAPIDJSON_SSE2
- use cpu_flags_x86_sse4_2 && append-cppflags -DRAPIDJSON_SSE42
- use cpu_flags_arm_neon && append-cppflags -DRAPIDJSON_NEON
- fi
-
- use wxwidgets && setup-wxwidgets
-
- use_bindings() {
- (use perl || use python) && (echo 'yes' || die) || (echo 'no' || die)
- }
-
- local mycmakeargs=(
- -DBUILD_DOCS=$(usex doc)
- -DBUILD_EXAMPLES=$(usex examples)
- -DBUILD_GUI=$(usex wxwidgets)
- -DENABLE_OPENMP=$(usex openmp)
- -DENABLE_TESTS=$(usex test)
- -DMINIMAL_BUILD=$(usex minimal)
- # Set this, otherwise it defaults to true and forces WITH_INCHI=true
- -DOPENBABEL_USE_SYSTEM_INCHI=$(usex inchi)
- -DOPTIMIZE_NATIVE=OFF
- -DPERL_BINDINGS=$(usex perl)
- -DPYTHON_BINDINGS=$(usex python)
- -DRUN_SWIG=$(use_bindings)
- -DWITH_COORDGEN=false
- -DWITH_INCHI=$(usex inchi)
- -DWITH_JSON=$(usex json)
- -DWITH_MAEPARSER=false
- )
-
- if use test; then
- # Help cmake find the python interpreter when dev-lang/python-exec is built
- # without native-symlinks support.
- python_setup
- mycmakeargs+=( -DPYTHON_EXECUTABLE="${PYTHON}" )
- fi
-
- cmake_src_configure
-}
-
-src_test() {
- # Wierd deadlock causes system_load to keep rising
- cmake_src_test -j1
-}
-
-openbabel-optimize() {
- python_optimize "${D}/$(python_get_sitedir)"/openbabel || die
-}
-
-src_install() {
- cmake_src_install
-
- docinto html
- for x in doc/*.html; do
- [[ ${x} != doc/api*.html ]] && dodoc ${x}
- done
- # Rendered in some html pages
- newdoc "${DISTDIR}"/${PN}.png babel130.png
- newdoc "${DISTDIR}"/${PN}.jpg OBTitle.jpg
-
- if use doc; then
- cmake_src_install docs
- docinto html/API
- dodoc -r doc/API/html/.
- fi
-
- if use examples; then
- # no compression since we want ready-to-run scripts
- docompress -x /usr/share/doc/${PF}/examples
-
- # ${PV} doesn't correspond to the internal BABEL_VERSION for
- # live or patch release builds so we grep it
- local babel_ver=$(
- grep '^#define BABEL_VERSION' < \
- "${BUILD_DIR}"/include/openbabel/babelconfig.h | \
- cut -d \" -f 2 || die
- )
- docinto examples/povray
- dodoc doc/dioxin.* doc/README*.pov*
- # Needed by the povray example
- dosym ../../../../${PN}/${babel_ver}/babel_povray3.inc \
- /usr/share/doc/${PF}/examples/povray/babel31.inc
-
- fi
-
- if use perl; then
- docinto /
- newdoc scripts/perl/Changes Changes.perl
- newdoc scripts/perl/README README.perl
- if use examples; then
- docinto examples/perl
- dodoc -r scripts/perl/examples/.
- fi
- fi
-
- if use python; then
- python_foreach_impl openbabel-optimize
- docinto /
- newdoc scripts/python/README.rst README.python.rst
- docinto html
- dodoc scripts/python/*.html
- if use examples; then
- docinto examples/python
- dodoc -r scripts/python/examples/.
- fi
- fi
-
- if use wxwidgets; then
- make_desktop_entry obgui "Open Babel" ${PN}
- doicon "${DISTDIR}"/${PN}.png
- fi
-}
-
-pkg_postinst() {
- use wxwidgets && xdg_desktop_database_update
-}
-
-pkg_postrm() {
- use wxwidgets && xdg_desktop_database_update
-}